2-(4-methoxyphenyl)-4-[(4-methylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(4-methoxyphenyl)-4-[(4-methylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(4-methoxyphenyl)-4-[(4-methylpiperazin-4-ium-1-yl)methylene]isoquinoline-1,3-dione CAS Name: 2-(4-methoxyphenyl)-4-[(4-methyl-1-piperazin-4-iumyl)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(4-methoxyphenyl)-4-[(4-methylpiperazin-4-ium-1-yl)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(4-methoxyphenyl)-4-[(4-methylpiperazin-4-ium-1-yl)methylene]isoquinoline-1,3-quinone Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H23N3O3/c1-23-11-13-24(14-12-23)15-20-18-5-3-4-6-19(18)21(26)25(22(20)27)16-7-9-17(28-2)10-8-16/h3-10,15H,11-14H2,1-2H3/p+1